Geometry & MOs

Info

ID:	213678
PubChem CID:	81064617
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	239.115758
ΔH_f, kcal/mol:	-119.65
Dipole, Da:	2.77
IP(EA), eV:	-9.87(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC=CC=C1

DOS

IR

Vibrations